# generated using pymatgen
data_Ca3MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60378045
_cell_length_b   6.60378045
_cell_length_c   5.01954311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.40669471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3MnN3
_chemical_formula_sum   'Ca6 Mn2 N6'
_cell_volume   214.57812075
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.67140434  0.90391259  0.75000000  1.0
  Ca  Ca1  1  0.39238075  0.60761925  0.25000000  1.0
  Ca  Ca2  1  0.90391259  0.67140434  0.25000000  1.0
  Ca  Ca3  1  0.60761925  0.39238075  0.75000000  1.0
  Ca  Ca4  1  0.32859566  0.09608741  0.25000000  1.0
  Ca  Ca5  1  0.09608741  0.32859566  0.75000000  1.0
  Mn  Mn6  1  0.80057552  0.19942448  0.25000000  1.0
  Mn  Mn7  1  0.19942448  0.80057552  0.75000000  1.0
  N  N8  1  0.68158012  0.93352035  0.25000000  1.0
  N  N9  1  0.37441848  0.62558152  0.75000000  1.0
  N  N10  1  0.62558152  0.37441848  0.25000000  1.0
  N  N11  1  0.93352035  0.68158012  0.75000000  1.0
  N  N12  1  0.31841988  0.06647965  0.75000000  1.0
  N  N13  1  0.06647965  0.31841988  0.25000000  1.0